3,4-bis(4-hydroxyphenyl)isoquinolin-7-ol

C21H15NO3 — CID 136832516

IUPAC3,4-bis(4-hydroxyphenyl)isoquinolin-7-ol
SMILESOc1ccc(-c2ncc3cc(O)ccc3c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C21H15NO3/c23-16-5-1-13(2-6-16)20-19-10-9-18(25)11-15(19)12-22-21(20)14-3-7-17(24)8-4-14/h1-12,23-25H
InChIKeyRNZABNLJAIMHPH-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.69
Rot. Bonds2

About 3,4-bis(4-hydroxyphenyl)isoquinolin-7-ol

3,4-bis(4-hydroxyphenyl)isoquinolin-7-ol (PubChem CID 136832516) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3,4-bis(4-hydroxyphenyl)isoquinolin-7-ol.

Molecular Properties

Compound Name3,4-bis(4-hydroxyphenyl)isoquinolin-7-ol
PubChem CID136832516
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name3,4-bis(4-hydroxyphenyl)isoquinolin-7-ol
SMILESOc1ccc(-c2ncc3cc(O)ccc3c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C21H15NO3/c23-16-5-1-13(2-6-16)20-19-10-9-18(25)11-15(19)12-22-21(20)14-3-7-17(24)8-4-14/h1-12,23-25H
InChIKeyRNZABNLJAIMHPH-UHFFFAOYSA-N
XLogP4.69
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenylisoquinolin-6-ol
CID 136504115
4-(5-amino-3-chloro-2-pyridinyl)phenol
CID 136758122
3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline
CID 122403203
1-methylphthalazin-6-ol
CID 175916271
4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol
CID 90294470
6-(4-hydroxyphenyl)naphthalen-2-ol;methane
CID 69476314
4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol
CID 54527880
4-isoquinolin-3-ylphenol;tetrahydrochloride
CID 140752997
3-phenyl-4-pyridin-3-ylisoquinoline
CID 11832880
3-(6-hydroxynaphthalen-2-yl)-1,2-benzoxazol-6-ol
CID 5287551
1-(4-hydroxyphenyl)-4-methoxyphenanthrene-2,7-diol
CID 150383298
phenanthridine-1,9-diol
CID 142972562

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-hydroxyphenyl)isoquinolin-7-ol?
The IUPAC name of 3,4-bis(4-hydroxyphenyl)isoquinolin-7-ol (CID 136832516) is 3,4-bis(4-hydroxyphenyl)isoquinolin-7-ol.
What is the SMILES notation for 3,4-bis(4-hydroxyphenyl)isoquinolin-7-ol?
The canonical SMILES for 3,4-bis(4-hydroxyphenyl)isoquinolin-7-ol is Oc1ccc(-c2ncc3cc(O)ccc3c2-c2ccc(O)cc2)cc1.
What is the InChIKey of 3,4-bis(4-hydroxyphenyl)isoquinolin-7-ol?
The InChIKey is RNZABNLJAIMHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c23-16-5-1-13(2-6-16)20-19-10-9-18(25)11-15(19)12-22-21(20)14-3-7-17(24)8-4-14/h1-12,23-25H.
What are the key properties of 3,4-bis(4-hydroxyphenyl)isoquinolin-7-ol?
3,4-bis(4-hydroxyphenyl)isoquinolin-7-ol has a molecular weight of 329.36 g/mol, XLogP of 4.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-hydroxyphenyl)isoquinolin-7-ol is sourced from PubChem (CID 136832516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).